N4X

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N22	C13	sing	1.35Å	1.26Å
C1	C4	doub	1.38Å	1.40Å	Aromatic
C1	C5	sing	1.39Å	1.41Å	Aromatic
C4	C2	sing	1.38Å	1.42Å	Aromatic
C13	O14	doub	1.22Å	1.19Å
C13	N10	sing	1.35Å	1.46Å
C5	N10	sing	1.41Å	1.48Å
C5	C6	doub	1.39Å	1.41Å	Aromatic
N10	C9	sing	1.47Å	1.41Å
C2	C3	doub	1.38Å	1.40Å	Aromatic
C9	C8	sing	1.54Å	1.55Å
C6	C3	sing	1.39Å	1.41Å	Aromatic
C6	N7	sing	1.40Å	1.49Å
C8	N7	sing	1.47Å	1.43Å
C8	C11	sing	1.53Å	1.53Å
C8	C12	sing	1.53Å	1.53Å
N7	C15	sing	1.47Å	1.46Å
C15	C16	sing	1.51Å	1.53Å
C21	C16	doub	1.38Å	1.39Å	Aromatic
C21	C20	sing	1.38Å	1.39Å	Aromatic
C16	C17	sing	1.38Å	1.39Å	Aromatic
C20	C19	doub	1.38Å	1.39Å	Aromatic
C17	C18	doub	1.38Å	1.39Å	Aromatic
C19	C18	sing	1.38Å	1.39Å	Aromatic
C1	H11	sing	1.08Å	1.08Å
C2	H21	sing	1.08Å	1.08Å
C3	H31	sing	1.08Å	1.08Å
C4	H41	sing	1.08Å	1.08Å
C9	H92	sing	1.09Å	1.10Å
C9	H91	sing	1.09Å	1.10Å
C11	H111	sing	1.09Å	1.10Å
C11	H112	sing	1.09Å	1.10Å
C11	H113	sing	1.09Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.09Å	1.10Å
C12	H123	sing	1.09Å	1.10Å
C15	H152	sing	1.09Å	1.10Å
C15	H151	sing	1.09Å	1.10Å
C17	H171	sing	1.08Å	1.08Å
C18	H181	sing	1.08Å	1.08Å
C19	H191	sing	1.08Å	1.08Å
C20	H201	sing	1.08Å	1.08Å
C21	H211	sing	1.08Å	1.08Å
N22	H222	sing	0.97Å	1.00Å
N22	H221	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N22	C13	O14	118.4°	120.0°
N22	C13	N10	122.4°	120.0°
C13	N22	H222	120.0°	120.0°
C13	N22	H221	120.0°	120.0°
C4	C1	C5	119.9°	120.0°
C1	C4	C2	119.9°	120.0°
C4	C1	H11	120.0°	120.0°
C1	C4	H41	120.0°	120.0°
C1	C5	N10	122.6°	119.4°
C1	C5	C6	120.5°	120.3°
C5	C1	H11	120.1°	120.0°
C4	C2	C3	120.1°	120.3°
C4	C2	H21	120.0°	119.8°
C2	C4	H41	120.1°	120.0°
O14	C13	N10	119.1°	120.1°
C13	N10	C5	125.4°	121.2°
C13	N10	C9	122.0°	121.2°
N10	C5	C6	116.8°	120.3°
C5	N10	C9	112.5°	117.6°
C5	C6	C3	119.2°	119.3°
C5	C6	N7	119.7°	121.8°
N10	C9	C8	109.1°	107.2°
N10	C9	H92	109.6°	110.0°
N10	C9	H91	109.6°	110.0°
C2	C3	C6	120.3°	120.2°
C3	C2	H21	120.0°	119.9°
C2	C3	H31	119.8°	119.9°
C9	C8	N7	113.4°	109.1°
C9	C8	C11	107.2°	109.6°
C9	C8	C12	107.1°	109.6°
C8	C9	H92	109.5°	109.9°
C8	C9	H91	109.6°	109.8°
C3	C6	N7	121.1°	118.9°
C6	C3	H31	119.9°	119.9°
C6	N7	C8	118.5°	113.1°
C6	N7	C15	119.2°	111.0°
N7	C8	C11	109.0°	109.5°
N7	C8	C12	109.9°	109.6°
C8	N7	C15	120.7°	111.0°
C11	C8	C12	110.1°	109.5°
C8	C11	H111	109.5°	109.4°
C8	C11	H112	109.4°	109.4°
C8	C11	H113	109.5°	109.5°
C8	C12	H121	109.5°	109.5°
C8	C12	H122	109.5°	109.5°
C8	C12	H123	109.5°	109.5°
N7	C15	C16	110.5°	109.5°
N7	C15	H152	109.2°	109.5°
N7	C15	H151	109.2°	109.4°
C15	C16	C21	120.6°	120.0°
C15	C16	C17	119.4°	120.0°
C16	C15	H152	109.2°	109.5°
C16	C15	H151	109.2°	109.5°
C16	C21	C20	119.9°	120.0°
C21	C16	C17	120.0°	120.0°
C16	C21	H211	120.1°	120.1°
C21	C20	C19	120.1°	120.0°
C21	C20	H201	120.0°	120.0°
C20	C21	H211	120.0°	120.0°
C16	C17	C18	120.1°	120.0°
C16	C17	H171	119.9°	120.0°
C20	C19	C18	120.0°	120.0°
C20	C19	H191	120.0°	120.0°
C19	C20	H201	119.9°	120.0°
C17	C18	C19	119.9°	120.0°
C18	C17	H171	120.0°	119.9°
C17	C18	H181	120.0°	120.0°
C19	C18	H181	120.0°	120.0°
C18	C19	H191	120.0°	120.0°
H92	C9	H91	109.5°	109.9°
H111	C11	H112	109.5°	109.5°
H111	C11	H113	109.5°	109.5°
H112	C11	H113	109.4°	109.5°
H121	C12	H122	109.5°	109.5°
H121	C12	H123	109.4°	109.4°
H122	C12	H123	109.5°	109.5°
H152	C15	H151	109.5°	109.5°
H222	N22	H221	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N22	C13	O14	N10	179.7°	179.9°
N22	C13	N10	C5	0.7°	178.6°
N22	C13	N10	C9	179.5°	1.4°
C13	N22	H222	H221	180.0°	179.9°
C4	C1	C5	H11	180.0°	179.7°
C1	C4	C2	H41	180.0°	179.9°
C4	C1	C5	N10	179.5°	179.7°
C4	C1	C5	C6	1.5°	0.1°
C1	C4	C2	C3	0.1°	0.2°
C1	C4	C2	H21	179.9°	179.9°
C5	C1	C4	C2	0.9°	0.1°
C1	C5	N10	C13	40.7°	11.5°
C1	C5	N10	C6	178.1°	179.8°
C1	C5	N10	C9	140.5°	168.5°
C1	C5	C6	C3	1.2°	0.3°
C1	C5	C6	N7	179.3°	179.2°
C5	C1	C4	H41	179.1°	180.0°
C4	C2	C3	H21	180.0°	179.9°
C4	C2	C3	C6	0.2°	0.0°
C2	C4	C1	H11	179.1°	179.6°
C4	C2	C3	H31	179.8°	180.0°
O14	C13	N10	C5	179.6°	1.5°
O14	C13	N10	C9	0.9°	178.5°
O14	C13	N22	H222	0.0°	5.0°
O14	C13	N22	H221	180.0°	174.9°
C13	N10	C5	C9	178.8°	180.0°
C13	N10	C5	C6	141.3°	168.3°
C13	N10	C9	C8	116.1°	138.8°
C13	N10	C9	H92	3.9°	101.7°
C13	N10	C9	H91	124.0°	19.4°
N10	C13	N22	H222	179.6°	174.9°
N10	C13	N22	H221	0.4°	5.2°
C5	N10	C9	C8	62.8°	41.1°
N10	C5	C6	C3	179.3°	179.5°
N10	C5	C6	N7	1.2°	0.9°
N10	C5	C1	H11	0.5°	0.0°
C5	N10	C9	H92	177.2°	78.3°
C5	N10	C9	H91	57.1°	160.5°
C6	C5	N10	C9	37.6°	11.7°
C5	C6	C3	C2	0.4°	0.2°
C5	C6	C3	N7	179.5°	179.6°
C5	C6	N7	C8	11.7°	23.3°
C5	C6	N7	C15	153.7°	148.7°
C6	C5	C1	H11	178.5°	179.8°
C5	C6	C3	H31	179.6°	179.7°
N10	C9	C8	H92	119.9°	119.5°
N10	C9	C8	H91	119.9°	119.5°
N10	C9	C8	N7	51.4°	61.7°
N10	C9	C8	C11	69.0°	58.1°
N10	C9	C8	C12	172.9°	178.3°
N10	C9	H92	H91	120.2°	121.2°
C2	C3	C6	H31	180.0°	180.0°
C2	C3	C6	N7	179.9°	179.3°
C3	C2	C4	H41	179.9°	179.9°
C9	C8	N7	C6	14.3°	53.6°
C9	C8	N7	C11	119.3°	119.9°
C9	C8	N7	C12	119.9°	120.0°
C9	C8	C11	C12	116.2°	120.2°
C9	C8	N7	C15	179.5°	179.1°
C8	C9	H92	H91	120.2°	121.0°
C9	C8	C11	H111	180.0°	59.6°
C9	C8	C11	H112	60.0°	60.4°
C9	C8	C11	H113	60.0°	179.6°
C9	C8	C12	H121	180.0°	170.4°
C9	C8	C12	H122	60.0°	50.4°
C9	C8	C12	H123	60.0°	69.7°
C3	C6	N7	C8	168.9°	157.2°
C3	C6	N7	C15	25.8°	31.7°
C6	C3	C2	H21	179.8°	179.9°
C6	N7	C8	C15	165.1°	125.5°
C6	N7	C8	C11	105.0°	66.3°
C6	N7	C8	C12	134.2°	173.6°
C6	N7	C15	C16	101.9°	162.4°
N7	C6	C3	H31	0.1°	0.7°
C6	N7	C15	H152	18.2°	77.6°
C6	N7	C15	H151	138.0°	42.4°
N7	C8	C11	C12	120.7°	120.2°
C8	N7	C15	C16	93.0°	71.0°
N7	C8	C9	H92	171.3°	57.8°
N7	C8	C9	H91	68.5°	178.8°
N7	C8	C11	H111	56.8°	60.0°
N7	C8	C11	H112	63.2°	180.0°
N7	C8	C11	H113	176.8°	60.0°
N7	C8	C12	H121	56.3°	70.0°
N7	C8	C12	H122	176.3°	170.0°
N7	C8	C12	H123	63.7°	50.0°
C8	N7	C15	H152	146.8°	49.0°
C8	N7	C15	H151	27.1°	169.0°
C11	C8	N7	C15	60.1°	59.2°
C11	C8	C9	H92	50.9°	177.7°
C11	C8	C9	H91	171.1°	61.3°
C8	C11	H111	H112	120.0°	119.9°
C8	C11	H111	H113	120.0°	120.0°
C8	C11	H112	H113	120.0°	120.0°
C11	C8	C12	H121	63.8°	50.2°
C11	C8	C12	H122	56.2°	69.8°
C11	C8	C12	H123	176.2°	170.1°
C12	C8	N7	C15	60.6°	61.0°
C12	C8	C9	H92	67.2°	62.2°
C12	C8	C9	H91	53.0°	58.8°
C12	C8	C11	H111	63.8°	179.8°
C12	C8	C11	H112	176.1°	59.9°
C12	C8	C11	H113	56.2°	60.2°
C8	C12	H121	H122	120.0°	120.0°
C8	C12	H121	H123	120.0°	119.9°
C8	C12	H122	H123	120.0°	120.0°
N7	C15	C16	H152	120.2°	120.0°
N7	C15	C16	H151	120.1°	120.0°
N7	C15	C16	C21	27.2°	132.5°
N7	C15	C16	C17	152.1°	47.7°
N7	C15	H152	H151	119.5°	119.9°
C15	C16	C21	C17	179.3°	179.7°
C15	C16	C21	C20	179.8°	179.7°
C15	C16	C17	C18	179.8°	180.0°
C16	C15	H152	H151	119.5°	120.0°
C15	C16	C17	H171	0.2°	0.0°
C15	C16	C21	H211	0.2°	0.0°
C16	C21	C20	H211	180.0°	179.7°
C16	C21	C20	C19	0.2°	0.5°
C21	C16	C17	C18	0.5°	0.3°
C21	C16	C15	H152	93.0°	12.5°
C21	C16	C15	H151	147.3°	107.5°
C21	C16	C17	H171	179.5°	179.7°
C16	C21	C20	H201	179.8°	179.7°
C20	C21	C16	C17	0.5°	0.5°
C21	C20	C19	H201	180.0°	179.8°
C21	C20	C19	C18	0.1°	0.2°
C21	C20	C19	H191	180.0°	179.7°
C16	C17	C18	H171	180.0°	180.0°
C16	C17	C18	C19	0.3°	0.0°
C17	C16	C15	H152	87.7°	167.8°
C17	C16	C15	H151	32.0°	72.2°
C16	C17	C18	H181	179.7°	180.0°
C17	C16	C21	H211	179.5°	179.7°
C20	C19	C18	C17	0.0°	0.1°
C20	C19	C18	H191	180.0°	179.9°
C20	C19	C18	H181	180.0°	180.0°
C19	C20	C21	H211	179.8°	179.8°
C17	C18	C19	H181	180.0°	180.0°
C17	C18	C19	H191	180.0°	180.0°
C19	C18	C17	H171	179.7°	180.0°
C18	C19	C20	H201	180.0°	180.0°
H11	C1	C4	H41	0.9°	0.4°
H21	C2	C3	H31	0.1°	0.1°
H21	C2	C4	H41	0.1°	0.1°
H111	C11	H112	H113	120.0°	120.0°
H121	C12	H122	H123	119.9°	120.0°
H171	C17	C18	H181	0.3°	0.0°
H181	C18	C19	H191	0.0°	0.0°
H191	C19	C20	H201	0.0°	0.1°
H201	C20	C21	H211	0.2°	0.1°

Release date:	2023-01-18
Definition date:	2023-01-11
Last modified:	2023-01-13
Release status:	REL
Processing site:	PDBJ
Derived from:	8HUB